3-(Propylamino)but-2-enenitrile
Basic information
- CAS
54644-66-5- Standard SMILES
CCCNC(C)=CC#N- InChIKey
UHGBOHLCMPJYQU-UHFFFAOYSA-N- Molecular formula
- C7H12N2
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.10004839
Names & identifiers
- Preferred name
- 3-(Propylamino)but-2-enenitrile
- IUPAC
- 3-(propylamino)but-2-enenitrile
Names & synonyms
3-(PROPYLAMINO)BUT-2-ENENITRILE54644-66-5DTXSID40788037
Database identifiers
- CAS
54644-66-5- PubChem CID
- 71364573
- DTXSID
DTXSID40788037
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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